Reference of 103962-05-6, A common heterocyclic compound, 103962-05-6, name is 1-Iodo-4-(trifluoromethoxy)benzene, molecular formula is C7H4F3IO, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.
A mixture of alkyne 97 (0.075 g, 0.25 mmol), 1-iodo-4-(trifluoromethoxy)benzene (70) (0.088 g, 0.30 mmol) and copper iodide (5 mg, 0.03 mmol) in DMF (2 mL) and Et3N (2 mL) was purged with N2. PdCl2(PPh3)2 (9 mg, 0.01 mmol) was added and the mixture was stirred at room temperature for 0.5 h, and then partitioned between EtOAc and water. Column chromatography of the organic portion on silica gel using gradient elution (0-5percent MeOH:EtOAc) gave 18 (0.084 g, 73percent) as a white solid: mp 207-208¡ã C.; 1H NMR [(CD3)2SO] delta 8.71 (d, J=1.7 Hz, 1H), 8.03 (s, 1H), 7.99 (dd, J=8.1, 2.2 Hz, 1H), 7.73 (d, J=8.9 Hz, 2H), 7.42-7.47 (m, 3H), 4.81 (d, J=13.9 Hz, 1H), 4.77 (d, J=13.9 Hz, 1H), 4.71 (dt, J=12.0, 2.5 Hz, 1H), 4.51 (d, J=11.9 Hz, 1H), 4.31-4.37 (m, 2H), 4.26 (dd, J=13.7, 3.5 Hz, 1H). Anal. (C21H15F3N4O5) C, H, N.
The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.
Reference:
Patent; Global Alliance for TB Drug Development; US2012/28973; (2012); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com